Free Chemical Databases
-
[Synonyms]
Oprea1_559987
STOCK5S-56686
NSC141313
ZINC00184652
EU-0043230
4572-59-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 226.2307 [g/mol] Molecular Formula C13H10N2O2 XLogP 1.9 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 0 Exact Mass 226.074228 MonoIsotopic Mass 226.074228 Topological Polar Surface Area 52 Heavy Atom Count 17 Formal Charge 0 Complexity 368 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1,2-dimethylbenzo[f]benzimidazole-4,9-dione
Canonical SMILES: CC1=NC2=C(N1C)C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1/C13H10N2O2/c1-7-14-10-11(15(7)2)13(17)9-6-4-3-5-8(9)12(10)16/h3-
6H,1-2H3
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